Figure 2: Flowchart of the iterative assignment/structure determination process. | Nature Communications

Figure 2: Flowchart of the iterative assignment/structure determination process.

From: High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy

Figure 2

Flowchart presenting the assignment procedure of ssNMR distance constraints and structural modelling in the new hybrid approach. Steps of NMR data analysis are coloured blue, with the resulting data sets illustrated as red rectangles. Rosetta-modelling steps are coloured green and the additional data used at each modelling step are indicated, including the 7.7-Å cryo-EM density map22. The preliminary models are derived from a reduced set of distance constraints coming only from [2-13C]-glucose spectra. The final models employ distance constraints from all data sets. The use of the software tools performing the different steps in the flow chart (provided as Supplementary Software 1) is outlined in detail in Supplementary Methods.

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